Chemical Properties of Broxaldine (CAS 3684-46-6)

Broxaldine

InChI
InChI=1S/C17H11Br2NO2/c1-10-7-8-12-13(18)9-14(19)16(15(12)20-10)22-17(21)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key
IJTPLVAAROHGGB-UHFFFAOYSA-N
Formula
C17H11Br2NO2
SMILES
Cc1ccc2c(Br)cc(Br)c(OC(=O)c3ccccc3)c2n1
Molecular Weight1
421.08
CAS
3684-46-6
Other Names
  • 8-Quinolinol, 5,7-dibromo-2-methyl-, benzoate
  • 5,7-Dibromo-2-methyl-8-quinolinol benzoate ester
  • Brobenzoxaldine
  • 5,7-Dibrom-2-methyl-8-chinolyl benzoat
  • 5,7-Dibromo-8-benzoyloxyquinaldine
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Physical Properties

Property Value Unit Source
logPoct/wat 5.287 Crippen Calculated Property
McVol 235.830 ml/mol McGowan Calculated Property
Inp [2686.00; 2686.00]   Show Hide
Inp 2686.00 NIST
Inp 2686.00 NIST

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Similar Compounds

Tryptophan-leucine-methionine,N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative. amikacin. [7-(Hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] 1H-pyrrole-3-carboxylate. Hydrastine. Yohimbine. Benazepril Me. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. 1H-pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-beta-d-ribofuranosyl-, 2',3',5'-tribenzoate. Ibogaine. DIHYDROMORPHINONE ACETATE. DIHYDROMORPHINE. Acetyldihydrocodeine. cis-1,2-Tetralinediol, ferrocenylboronate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate.

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Sources

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